5-(oxolan-2-yl)-1-(2,2,2-trifluoroethoxy)pentan-2-one

C11H17F3O3 — CID 103214167

IUPAC5-(oxolan-2-yl)-1-(2,2,2-trifluoroethoxy)pentan-2-one
SMILESO=C(CCCC1CCCO1)COCC(F)(F)F
InChIInChI=1S/C11H17F3O3/c12-11(13,14)8-16-7-9(15)3-1-4-10-5-2-6-17-10/h10H,1-8H2
InChIKeyUMBLBQMBHGTZSI-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.48
Rot. Bonds7

About 5-(oxolan-2-yl)-1-(2,2,2-trifluoroethoxy)pentan-2-one

5-(oxolan-2-yl)-1-(2,2,2-trifluoroethoxy)pentan-2-one (PubChem CID 103214167) has the molecular formula C11H17F3O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 5-(oxolan-2-yl)-1-(2,2,2-trifluoroethoxy)pentan-2-one.

Molecular Properties

Compound Name5-(oxolan-2-yl)-1-(2,2,2-trifluoroethoxy)pentan-2-one
PubChem CID103214167
Molecular FormulaC11H17F3O3
Molecular Weight254.25 g/mol
Exact Mass254.11
IUPAC Name5-(oxolan-2-yl)-1-(2,2,2-trifluoroethoxy)pentan-2-one
SMILESO=C(CCCC1CCCO1)COCC(F)(F)F
InChIInChI=1S/C11H17F3O3/c12-11(13,14)8-16-7-9(15)3-1-4-10-5-2-6-17-10/h10H,1-8H2
InChIKeyUMBLBQMBHGTZSI-UHFFFAOYSA-N
XLogP2.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-yl)-1-(2,2,2-trifluoroethoxy)pentan-2-one?
The IUPAC name of 5-(oxolan-2-yl)-1-(2,2,2-trifluoroethoxy)pentan-2-one (CID 103214167) is 5-(oxolan-2-yl)-1-(2,2,2-trifluoroethoxy)pentan-2-one.
What is the SMILES notation for 5-(oxolan-2-yl)-1-(2,2,2-trifluoroethoxy)pentan-2-one?
The canonical SMILES for 5-(oxolan-2-yl)-1-(2,2,2-trifluoroethoxy)pentan-2-one is O=C(CCCC1CCCO1)COCC(F)(F)F.
What is the InChIKey of 5-(oxolan-2-yl)-1-(2,2,2-trifluoroethoxy)pentan-2-one?
The InChIKey is UMBLBQMBHGTZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3O3/c12-11(13,14)8-16-7-9(15)3-1-4-10-5-2-6-17-10/h10H,1-8H2.
What are the key properties of 5-(oxolan-2-yl)-1-(2,2,2-trifluoroethoxy)pentan-2-one?
5-(oxolan-2-yl)-1-(2,2,2-trifluoroethoxy)pentan-2-one has a molecular weight of 254.25 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-yl)-1-(2,2,2-trifluoroethoxy)pentan-2-one is sourced from PubChem (CID 103214167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).